[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]methanol

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]methanol Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]methanol CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]methanol IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]methanol Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]methanol Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)CO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)CO

InChI

InChI=1S/C13H18N2O5S/c1-10-4-5-12(15(17)18)7-13(10)21(19,20)14-6-2-3-11(8-14)9-16/h4-5,7,11,16H,2-3,6,8-9H2,1H3